meso-3,3-Dimethyl-2,4-pentandiol | 24892-50-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: meso-3,3-Dimethyl-2,4-pentandiol
• 英文别名: 2,2-dimethyl-1,3-propanediol；3,3-dimethyl-2,4-pentanediol；3,3-dimethyl-pentane-2,4-diol；meso-3.3-Dimethylpentan-2.4-diol；DL-3,3-Dimethyl-2,4-pentandiol；3,3-Dimethyl-pentandiol-(2,4)；3,3-dimethylpentane-2,4-diol
• CAS: 24892-50-0
• 化学式: C₇H₁₆O₂
• 分子量: 132.203
• InChiKey: FVSGQDYLPCUSNF-UHFFFAOYSA-N

物化性质

• 沸点：
  80-82 °C(Press: 2 Torr)
• 密度：
  0.944±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.77
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  meso-3,3-Dimethyl-2,4-pentandiol 在 sodium hydroxide 、 氯化亚砜 作用下， 生成 (±)-3,3-dimethylpentane-2,4-diol
  参考文献：
  名称：

  1,3-乙二醇衍生物的化学。四、2,4-戊二醇衍生物的溶剂分解机理以及所提出的中间体乙酰氧鎓离子与碳负离子和氢化物的反应

  摘要：

  已经对各种 2,4-戊二醇衍生物（包括 2-乙酰氧基-4-甲苯磺酸酯、环状原甲酸酯和原乙酸酯）的溶剂分解进行了区域和立体化学研究，并且对先前提出的机制进行了部分修改。还研究了所提出的中间体乙酰氧离子与碳负离子和氢阴离子的反应。

  DOI：

  10.1246/bcsj.55.177
• 作为产物：
  描述：

  4-Hydroxy-3,3-dimethyl-2-pentanon 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.5h， 生成 meso-3,3-Dimethyl-2,4-pentandiol
  参考文献：
  名称：

  研究和发展荧光七族的转化。氨基甲酸氨基甲酸酯

  摘要：

  制备了3,3-二甲基戊烷-2,4-二醇，一种新的二醇及其二氨基甲酸酯。还已经从N，N-二乙基氨基甲酰氯和相应的二醇制备了一些N，N-二乙基氨基甲酸酯的二醇。

  DOI：

  10.1002/hlca.19610440641

文献信息

• Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050239636A1

  公开（公告）日：2005-10-27

  The present invention provides a solid catalyst component for the polymerization of olefins, comprising magnesium, titanium, a halogen and an electron donor, wherein said electron donor comprises at least one selected from the group consisting of polyol ester compounds of the formula (I): R 1 CO—O—CR 3 R 4 -A-CR 5 R 6 —O—CO—R 2 (I) wherein, R 1 and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on above-mentioned bivalent linking group and substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring.

  本发明提供了一种用于烯烃聚合的固体催化剂组分，包括镁、钛、卤素和电子给体，其中所述电子给体包括以下至少一种选择自聚醇酯化合物组的化合物（I）：R1CO—O—CR3R4-A-CR5R6—O—CO—R2（I）其中，R1和R2基团可以相同或不同，可以是取代或未取代的1至20个碳原子的烃基，R3-R6基团可以相同或不同，可以选择自氢、卤素或取代或未取代的1至20个碳原子的烃基的群组中，R1-R6基团可以选用一个或多个杂原子代替碳、氢原子或两者，所述杂原子选择自氮、氧、硫、硅、磷和卤素原子的群组，R3-R6基团中的两个或更多个可以连接形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，链长在两个自由基之间为1-10个原子，其中所述双价连接基团选自脂肪族、环脂族和芳香族双价基团的群组，可以携带C1-C20线性或支链取代基；上述双价连接基团和取代基上的一个或多个碳原子和/或氢原子可以被选择自氮、氧、硫、硅、磷和卤素原子的群组中的杂原子取代，两个或更多所述取代基在连接基团上以及上述R3-R6基团中可以连接形成饱和或不饱和的单环或多环环。
• Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050096389A1

  公开（公告）日：2005-05-05

  The present application relates to polyol ester compounds, having general formula (I): R 1 CO—O—CR 3 R4-A-CR 5 R 6 —O—CO—R 2 (I) wherein, R, and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on the substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring. The compounds of formula (I) find use in preparing a catalyst for olefin polymerization.

  本申请涉及聚醇酯化合物，其一般式为（I）：R1CO-O-CR3R4-A-CR5R6-O-CO-R2（I），其中，R和R2基团可以相同或不同，可以是取代或未取代的碳氢基，其碳原子数为1到20个；R3-R6基团可以相同或不同，可以选择来自氢、卤素或取代或未取代的碳氢基的群，R1-R6基团可以选择包含一个或多个取代碳、氢原子或两者的杂原子，所述杂原子选择来自氮、氧、硫、硅、磷和卤素原子的群，其中R3-R6中的两个或更多个可以连接以形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，其链长在两个自由基之间为1-10个原子，在所述双价连接基团中选择来自脂肪族、环烷和芳香族双价基团的群，并且可以携带C1-C20线性或支链取代基；取代基上的一个或多个碳原子和/或氢原子可以被选择来自氮、氧、硫、硅、磷和卤素原子的群的杂原子所取代，连接基上的两个或更多个取代基以及上述R3-R6基团可以连接以形成饱和或不饱和的单环或多环环。式（I）化合物可用于制备用于烯烃聚合的催化剂。
• Virtanen, Terttu; Nikander, Hannu, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1982, vol. 36, # 2, p. 113 - 116
  作者：Virtanen, Terttu、Nikander, Hannu

  DOI：——

  日期：——
• Maier, Guenther; Roth, Cornelia; Schmitt, Reinhart K., Chemische Berichte, 1985, vol. 118, # 2, p. 704 - 721
  作者：Maier, Guenther、Roth, Cornelia、Schmitt, Reinhart K.

  DOI：——

  日期：——
• Nifant'ev, I. E.; Manzhukova, L. F.; Antipin, M. Yu, Russian Journal of General Chemistry, 1995, vol. 65, p. 682 - 685
  作者：Nifant'ev, I. E.、Manzhukova, L. F.、Antipin, M. Yu、Struchkov, Yu. T.、Nifant'ev E. E.

  DOI：——

  日期：——